2-octan-4-ylpyridin-3-amine

C13H22N2 — CID 134178133

IUPAC2-octan-4-ylpyridin-3-amine
SMILESCCCCC(CCC)c1ncccc1N
InChIInChI=1S/C13H22N2/c1-3-5-8-11(7-4-2)13-12(14)9-6-10-15-13/h6,9-11H,3-5,7-8,14H2,1-2H3
InChIKeyHAQZYUNKAJLUIM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds6

About 2-octan-4-ylpyridin-3-amine

2-octan-4-ylpyridin-3-amine (PubChem CID 134178133) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-octan-4-ylpyridin-3-amine.

Molecular Properties

Compound Name2-octan-4-ylpyridin-3-amine
PubChem CID134178133
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-octan-4-ylpyridin-3-amine
SMILESCCCCC(CCC)c1ncccc1N
InChIInChI=1S/C13H22N2/c1-3-5-8-11(7-4-2)13-12(14)9-6-10-15-13/h6,9-11H,3-5,7-8,14H2,1-2H3
InChIKeyHAQZYUNKAJLUIM-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-octan-4-ylpyrazine
CID 144869525
2-[(1R)-1-aminopropyl]pyridin-3-amine
CID 131036341
3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
2,6-di(heptan-4-yl)aniline;2,6-di(nonan-5-yl)aniline
CID 161487195
2-(2-ethylhexylsulfanyl)pyridin-3-amine
CID 63462980
[2-[(1R)-1-aminopentyl]-3-pyridinyl]methanol
CID 55263692
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
2-decan-4-ylpyridine
CID 67882797
2-octylpyridin-3-amine
CID 23131469
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
4-heptan-3-ylpyrido[3,2-d]pyrimidine
CID 155035105
2-[(heptan-2-ylamino)methyl]pyridin-3-amine
CID 104739927

Frequently Asked Questions

What is the IUPAC name of 2-octan-4-ylpyridin-3-amine?
The IUPAC name of 2-octan-4-ylpyridin-3-amine (CID 134178133) is 2-octan-4-ylpyridin-3-amine.
What is the SMILES notation for 2-octan-4-ylpyridin-3-amine?
The canonical SMILES for 2-octan-4-ylpyridin-3-amine is CCCCC(CCC)c1ncccc1N.
What is the InChIKey of 2-octan-4-ylpyridin-3-amine?
The InChIKey is HAQZYUNKAJLUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-8-11(7-4-2)13-12(14)9-6-10-15-13/h6,9-11H,3-5,7-8,14H2,1-2H3.
What are the key properties of 2-octan-4-ylpyridin-3-amine?
2-octan-4-ylpyridin-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-4-ylpyridin-3-amine is sourced from PubChem (CID 134178133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).